Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Mechanical properties of Heusler alloys
Heusler alloys have been a significant topic of research due to their unique electronic
structure, which exhibits half-metallicity, and a wide variety of properties such as magneto …
structure, which exhibits half-metallicity, and a wide variety of properties such as magneto …
Exploring the multifaceted properties: structural, electronic, magnetic, mechanical, thermodynamic, transport, and optical characteristics of rhodium-based half-Heusler …
B Gurunani, DC Gupta - Journal of Materials Science, 2024 - Springer
Density functional theory was employed to investigate the structural, electronic, elastic,
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …
thermodynamic, and thermoelectric characteristics of RhNbZ (Z= Si, Ge) half-Heusler …
Investigation of inherent properties of XScZ (X= Li, Na, K; Z= C, Si, Ge) half-Heusler compounds: appropriate for photovoltaic and thermoelectric applications
Here, we present the study of XScZ (X= Li, Na and K; Z= C, Si and Ge) half-Heusler
compounds within the density functional theory through full potential linearized augmented …
compounds within the density functional theory through full potential linearized augmented …
First-principle computation of some physical properties of half-Heusler compounds for possible thermoelectric applications
Using the density functional theory (DFT) method, we investigate the properties of LaXSi (X=
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …
Pt, Pd) half-Heusler compounds. To ensure the stability of both compounds, we employed …
Electronic properties of half-Heusler compounds XCrSb (X= Fe, Ru, Os): Potential applications as spintronics and high-performance thermoelectric materials
First-principles computations were used to investigate the magnetic, structural,
thermoelectric, and electronic properties of the XCrSb (X= Fe, Ru, Os) half-Heuslers. The …
thermoelectric, and electronic properties of the XCrSb (X= Fe, Ru, Os) half-Heuslers. The …
[HTML][HTML] First-principles study of structural, electronic, elastic, thermodynamic and optical properties of topological superconductor LuPtBi
The structural, electronic, elastic, mechanical, thermodynamic and optical properties of
LuPtBi half-Heusler compound have been demonstrated thoroughly in this study for the first …
LuPtBi half-Heusler compound have been demonstrated thoroughly in this study for the first …
Electronic and magnetic investigation of half-metallic ferrimagnetic full-Heusler Mn2IrGe
In this study, we are interested in the calculations of physicochemical properties of a new full-
Heusler Mn2IrGe alloy. The calculations are performed by the full-potential linearized …
Heusler Mn2IrGe alloy. The calculations are performed by the full-potential linearized …
Theoretical investigation of structural, magnetic and elastic properties of half Heusler LiCrZ (Z= P, As, Bi, Sb) alloys
In this study, physical properties of half Heusler (HH) alloys LiCrZ (Z= P, As, Bi, Sb) are
explored using Wien2k package. All these alloys are found to be the most stable with Type-1 …
explored using Wien2k package. All these alloys are found to be the most stable with Type-1 …
Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties
This study employs density functional theory (DFT) using Wien2k to comprehensively
analyze the essential properties of two half-Heusler alloys, KCrSi and KCrGe. Our findings …
analyze the essential properties of two half-Heusler alloys, KCrSi and KCrGe. Our findings …